SCHEMBL8552083

SCHEMBL8552083

NC(N)=Nc1nnc(-c2ccc(F)cc2)c2cccc(C(F)(F)C(F)(F)F)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
PLAU P00749 4/20 0.32
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
PLG P00747 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8553715 0.91 NR1H2 (0.38) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8546417 0.81 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8550323 0.81 PLG (0.42) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8554002 0.81 PLAU (0.44) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8547668 0.80 PLAU (0.37) MEN1KMT2AALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL8548633 0.80 PLG (0.41) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8552079 0.77 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8551154 0.73 CA9 (0.33) MAPTNR1H2NR1H3SMN1; SMN2LMNA
SCHEMBL8548298 0.70 PLAU (0.40) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8548156 0.70 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed